2-methylsulfanyl-2-prop-2-enyloxonane

C12H22OS — CID 14681301

IUPAC2-methylsulfanyl-2-prop-2-enyloxonane
SMILESC=CCC1(SC)CCCCCCCO1
InChIInChI=1S/C12H22OS/c1-3-9-12(14-2)10-7-5-4-6-8-11-13-12/h3H,1,4-11H2,2H3
InChIKeyMRQWVHQLRLIFMX-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.99
Rot. Bonds3

About 2-methylsulfanyl-2-prop-2-enyloxonane

2-methylsulfanyl-2-prop-2-enyloxonane (PubChem CID 14681301) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 2-methylsulfanyl-2-prop-2-enyloxonane.

Molecular Properties

Compound Name2-methylsulfanyl-2-prop-2-enyloxonane
PubChem CID14681301
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name2-methylsulfanyl-2-prop-2-enyloxonane
SMILESC=CCC1(SC)CCCCCCCO1
InChIInChI=1S/C12H22OS/c1-3-9-12(14-2)10-7-5-4-6-8-11-13-12/h3H,1,4-11H2,2H3
InChIKeyMRQWVHQLRLIFMX-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-prop-2-enyloxan-2-yl)silane
CID 123453490
1,1-bis(prop-2-enyl)cycloheptane
CID 90742385
2-methylsulfanyl-2-[(Z)-prop-1-enyl]oxepane
CID 10103917
1-ethenyl-1-(methylsulfanylmethyl)cyclooctane
CID 123995657
1-prop-2-enylcyclooctan-1-ol
CID 12640793
1-prop-2-enylcyclodecan-1-ol
CID 102287484
1-prop-2-enylcyclododecan-1-ol
CID 11770111
1-iodo-1-prop-2-enylcyclohexane
CID 140656349
3-methyl-3-prop-2-enyloxepan-2-one
CID 174899339
ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate
CID 173263877
2-(2-methyloxan-2-yl)acetaldehyde
CID 165478002
2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane
CID 23118642

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2-prop-2-enyloxonane?
The IUPAC name of 2-methylsulfanyl-2-prop-2-enyloxonane (CID 14681301) is 2-methylsulfanyl-2-prop-2-enyloxonane.
What is the SMILES notation for 2-methylsulfanyl-2-prop-2-enyloxonane?
The canonical SMILES for 2-methylsulfanyl-2-prop-2-enyloxonane is C=CCC1(SC)CCCCCCCO1.
What is the InChIKey of 2-methylsulfanyl-2-prop-2-enyloxonane?
The InChIKey is MRQWVHQLRLIFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-3-9-12(14-2)10-7-5-4-6-8-11-13-12/h3H,1,4-11H2,2H3.
What are the key properties of 2-methylsulfanyl-2-prop-2-enyloxonane?
2-methylsulfanyl-2-prop-2-enyloxonane has a molecular weight of 214.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2-prop-2-enyloxonane is sourced from PubChem (CID 14681301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).